SCHEMBL7605045

SCHEMBL7605045

O=[N+]([O-])c1cc([C@H](CO)N(CCC(c2ccc(O)cc2)c2ccc(O)cc2)Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.43
CTSL P07711 4/20 0.43
POLB P06746 1/20 0.41
PDCD1 Q15116 5/20 0.40
CD274 Q9NZQ7 5/20 0.40
ABCB1 P08183 1/20 0.39
FFAR1 O14842 1/20 0.38
BACE1 P56817 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7605019 0.92 MAPT (0.43) CTSVCTSLPOLBPDCD1CD274
SCHEMBL7606585 0.90 CTSV (0.44) CTSVCTSLPOLBPDCD1CD274
SCHEMBL7607653 0.90 CTSV (0.44) CTSVCTSLPOLBPDCD1CD274
SCHEMBL7604662 0.85 MEN1 (0.44) CTSVCTSLPOLBABCB1FFAR1
SCHEMBL7605326 0.84 CTSV (0.42) CTSVCTSLPOLBPDCD1CD274
SCHEMBL7605039 0.82 CTSV (0.42) CTSVCTSLPOLBPDCD1CD274
SCHEMBL7608191 0.81 FFAR1 (0.43) CTSVCTSLPOLBPDCD1CD274
SCHEMBL7609875 0.80 PRKCA (0.41) CTSVCTSLPOLBPDCD1CD274
SCHEMBL4728111 0.80 KMT2A (0.43) CTSVCTSLPOLBPDCD1CD274
SCHEMBL7606895 0.79 ABCB1 (0.44) CTSVCTSLPOLBPDCD1CD274

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed